ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine

C11H18FN — CID 143109921

IUPACethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine
SMILESCC.NCCC1=C(F)CC=CC=C1
InChIInChI=1S/C9H12FN.C2H6/c10-9-5-3-1-2-4-8(9)6-7-11;1-2/h1-4H,5-7,11H2;1-2H3
InChIKeyVDGAMVGOLMQJQR-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.10
Rot. Bonds2

About ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine

ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine (PubChem CID 143109921) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine.

Molecular Properties

Compound Nameethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine
PubChem CID143109921
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Nameethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine
SMILESCC.NCCC1=C(F)CC=CC=C1
InChIInChI=1S/C9H12FN.C2H6/c10-9-5-3-1-2-4-8(9)6-7-11;1-2/h1-4H,5-7,11H2;1-2H3
InChIKeyVDGAMVGOLMQJQR-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine?
The IUPAC name of ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine (CID 143109921) is ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine.
What is the SMILES notation for ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine?
The canonical SMILES for ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine is CC.NCCC1=C(F)CC=CC=C1.
What is the InChIKey of ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine?
The InChIKey is VDGAMVGOLMQJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN.C2H6/c10-9-5-3-1-2-4-8(9)6-7-11;1-2/h1-4H,5-7,11H2;1-2H3.
What are the key properties of ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine?
ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine has a molecular weight of 183.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine is sourced from PubChem (CID 143109921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).